CID 24229777

5-bromo-2-(methyl(aminomethyl))pyridine

Structural Information

Molecular Formula
C7H9BrN2
SMILES
CNCC1=NC=C(C=C1)Br
InChI
InChI=1S/C7H9BrN2/c1-9-5-7-3-2-6(8)4-10-7/h2-4,9H,5H2,1H3
InChIKey
DCQLMECRAAGXSD-UHFFFAOYSA-N
Compound name
1-(5-bromo-2-pyridinyl)-N-methylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

40
Patents

199.9949 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.002176 132.3
[M+Na]+ 222.984118 143.7
[M-H]- 198.987624 137.4
[M+NH4]+ 218.028723 153.7
[M+K]+ 238.958058 132.8
[M+H-H2O]+ 182.992160 131.6
[M+HCOO]- 244.993101 154.7
[M+CH3COO]- 259.008751 184.3
[M+Na-2H]- 220.969566 142.2
[M]+ 199.99435142 150.2
[M]- 199.99544858 150.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe